Geometry & MOs

Info

ID:	348619
PubChem CID:	127273730
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	320.130697
ΔH_f, kcal/mol:	-29.12
Dipole, Da:	10.78
IP(EA), eV:	-8.99(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-cyclopropylpiperazin-1-yl)methyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN2CCN(CC2)CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations